SCHEMBL18560734

SCHEMBL18560734

CC(C)CC(C(=O)OCCO)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ RNPEP Q9H4A4 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ MME P08473 1/20 0.31
▸ TNF P01375 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ ADAM17 P78536 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18560732 0.89 SLC1A3 (0.35) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL22238280 0.82 TSHR (0.36) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL17852291 0.80 SLC1A3 (0.35) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL16542382 0.80 ALDH1A1 (0.47) TSHRALDH1A1ACHEHSD17B10
SCHEMBL18597535 0.79 CHRM1 (0.47) ALDH1A1GAA
SCHEMBL26078279 0.79 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL25694913 0.79 CHRM1 (0.48) TSHRACHEGAA
SCHEMBL15443271 0.78 ALDH1A1 (0.40) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL17365966 0.78 TSHR (0.37) TSHRALDH1A1ACHERNPEPSLC7A5
SCHEMBL20221807 0.78 ALDH1A1 (0.40) TSHRALDH1A1SLC1A3SLC1A2SLC1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170055906-A1 SYSTEMS AND METHODS FOR CONTINUOUS HEALTH MONITORING USING AN OPTO-ENZYMATIC ANALYTE SENSOR WILLOW LABORATORIES, INC. 2017-03-02 — — US disclosed
Send feedback